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2-Fluortoluol
1-Fluoro-2-methylbenzene · O-FLUOROTOLUENE · 1-Fluor-2-methylbenzol · FC6H4CH3 · o-Fluortoluol · 2-Fluortoluol · o-fluoro-toluen · 2-FLUOROTOLUENE
Identifikatoren & physikalische Daten
| CAS No. | 95-52-3 |
|---|---|
| Summenformel | C7H7F |
| Durchschnittliche Molmasse | 110,13 g/mol |
| Monoisotopische Masse | 110,05317839 g/mol |
| SMILES | Cc1ccccc1F |
| InChIKey | MMZYCBHLNZVROM-UHFFFAOYSA-N |
| PubChem CID | 7241 |
| ChEMBL | CHEMBL352215 |
| EC No. | 202-428-5 |
| DTXSID | DTXSID7021811 |
| Lokaler Name | 2-Fluortoluol |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 70 |
| Dichte | 1.0041 at 55.4 °F (USCG, 1999) - Denser than waterwill sink1.001 g/mL at 25 °C (lit.) |
| Flammpunkt | 55 °F (USCG, 1999) |
| Siedepunkt | 237.2 °F at 760 mmHg (USCG, 1999)113-114 °C (lit.) |
| Schmelzpunkt | -79.6 °F (USCG, 1999)-62 °C (lit.) |
| Dampfdruck | 47.05 mmHg (USCG, 1999)21 mm Hg ( 20 °C) |
| Physical Description | 2-fluorotoluene appears as a colorless liquid with an aromatic odor. May sink or float on water. (USCG, 1999) |
| Kovats Retention Index | 763.7767777785777.4757783 |
| Dampfdichte | 3.8 (vs air) |
| Brechungsindex | n20/D 1.473(lit.) |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | Liquid |
| Wichte | 1.001 |
| Farbe | Clear colorless to slightly yellow |
| Explosionsgrenze | 1.3%(V) |
| Löslichkeit | immiscible |
| Merck | 14,4180 |
| BRN | 1853362 |
| Dielektrizitätskonstante | 4.2199999999999998 |
| InChI | 1S/C7H7F/c1-6-4-2-3-5-7(6)8/h2-5H,1H3 |
| InChIKey | MMZYCBHLNZVROM-UHFFFAOYSA-N |
| SMILES | Cc1ccccc1F |
| LogP (Verteilungskoeffizient) | 2.73-2.74 |
| CAS Datenbank | 95-52-3(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1-fluoro-2-methyl-(95-52-3) |
| EPA chemische Informationen | o-Fluorotoluene (95-52-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]H301 (28.2%): Toxic if swallowed [Danger Acute toxicity, oral]H315 (49%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (49%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (22.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (94%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 149 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 20-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21591Status: Cease Manufacture Update: 16-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/62142-Fluorotoluene: Does not have an individual approval but may be used under an appropriate group standard |
| DOT-Kennzeichnung | Flammable Liquid |
| Brandgefahren | Special Hazards of Combustion Products: May contain toxic fluoride fumes.Behavior in Fire: Container may explode in heat of fire. Vapor may travel to a source of ignition and flashback. Vapor explosion hazard indoors, outdoors or in sewer. Toxic fluoride fumes may be produced. (USCG, 1999) |
| Gesundheitsgefahren | Inhalation of vapor may cause respiratory irritation. Prolonged and repeated vapor exposures may produce systemic toxic effects. (USCG, 1999) |
| Reaktive Gruppe | Aryl Halides |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | 2-FLUOROTOLUENE is of generally low reactivity. Reacts with strong oxidizing agents and strong reducing agents. Also may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides (USCG, 1999). |
| Air and Water Reactions | Highly flammable. Insoluble in water. |
| Hazard Classes and Categories | Flam. Liq. 2 (100%)Acute Tox. 3 (28.2%)Skin Irrit. 2 (49%)Eye Irrit. 2 (49%)Acute Tox. 4 (22.1%)STOT SE 3 (94%) |
| Lower Explosive Limit (LEL) | 1.3 % (USCG, 1999) |
| Brandbekämpfung | Fire Extinguishing Agents: Dry chemical, CO2, or foam (USCG, 1999) |
| Erste Hilfe | INHALATION: Move to fresh air. If breathing has stopped, give artificial respiration. If breathing is difficult, give oxygen.EYES OR SKIN: Flush with running water for at least 15 min.hold eyelids open if necessary. Remove and isolate contaminated clothing and shoes at the site.INGESTION: DO NOT INDUCE VOMITING. If victim is unconscious or having convulsions, do nothing except keep victim warm. (USCG, 1999) |
| Freisetung ohne Brand | Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean, non-sparking tools to collect absorbed material.LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2024) |
| Isolation and Evacuation | Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area for at least 50 meters (150 feet) in all directions.LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet).FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directionsalso, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024) |
| Personal Protective Equipment (PPE) | Wear self-contained positive pressure breathing apparatus and full protective clothing. (USCG, 1999) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2388 3/PG 2 |
| Zollcode | 29036990 |
| RTECS-Nr. | XT2579000 |
| R-Sätze (R) | 11-36/37/38 |
| Toxizität | LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 2000 mg/kg |
| Gefahrensymbole | F,Xi |
| hazard_note | Flammable/Irritant |
| Sicherheitshinweise (S) | 16-26-33-36-37/39 |
| Gefahrenklasse | 3Flam. Liq. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
It is employed in organic synthesis.